1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide

C149H166BrN43O7 — CID 159875340

About 1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide

1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide (PubChem CID 159875340) has the molecular formula C149H166BrN43O7 and a molecular weight of 2751.16 g/mol. Its IUPAC name is 1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide
• PubChem CID: 159875340
• Molecular Formula: C149H166BrN43O7
• Molecular Weight: 2751.16 g/mol
• Exact Mass: 2748.31
• IUPAC Name: 1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide
• SMILES: CC(=O)N1CCN(CCN(C)c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.CN(C)CCCN(C)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(C)CCN(C)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)c(Br)c1.CN(C)CCN(C)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(C)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN1CCN(CCN(C)c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1
• InChI: InChI=1S/C28H32N8O2.C27H32N8O.C25H29N7O.C24H26BrN7O.C24H27N7O.C21H20N6O/c1-20(37)35-17-15-34(16-18-35)14-13-33(2)22-9-7-21(8-10-22)31-28-30-12-11-26(32-28)36-19-24(27(29)38)23-5-3-4-6-25(23)36;1-32-13-16-34(17-14-32)18-15-33(2)21-9-7-20(8-10-21)30-27-29-12-11-25(31-27)35-19-23(26(28)36)22-5-3-4-6-24(22)35;1-30(2)15-6-16-31(3)19-11-9-18(10-12-19)28-25-27-14-13-23(29-25)32-17-21(24(26)33)20-7-4-5-8-22(20)32;1-30(2)12-13-31(3)16-8-9-20(19(25)14-16)28-24-27-11-10-22(29-24)32-15-18(23(26)33)17-6-4-5-7-21(17)32;1-29(2)14-15-30(3)18-10-8-17(9-11-18)27-24-26-13-12-22(28-24)31-16-20(23(25)32)19-6-4-5-7-21(19)31;1-26(2)15-9-7-14(8-10-15)24-21-23-12-11-19(25-21)27-13-17(20(22)28)16-5-3-4-6-18(16)27/h3-12,19H,13-18H2,1-2H3,(H2,29,38)(H,30,31,32);3-12,19H,13-18H2,1-2H3,(H2,28,36)(H,29,30,31);4-5,7-14,17H,6,15-16H2,1-3H3,(H2,26,33)(H,27,28,29);4-11,14-15H,12-13H2,1-3H3,(H2,26,33)(H,27,28,29);4-13,16H,14-15H2,1-3H3,(H2,25,32)(H,26,27,28);3-13H,1-2H3,(H2,22,28)(H,23,24,25)
• InChIKey: NSVGUDZXFOCQSZ-UHFFFAOYSA-N
• XLogP: 20.07
• TPSA: 574.17 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 43
• Rotatable Bonds: 46
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2751.16
LogP ≤ 5	20.07
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide?

The IUPAC name of 1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide (CID 159875340) is 1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide.

What is the SMILES notation for 1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide?

The canonical SMILES for 1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide is CC(=O)N1CCN(CCN(C)c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.CN(C)CCCN(C)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(C)CCN(C)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)c(Br)c1.CN(C)CCN(C)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(C)c1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN1CCN(CCN(C)c2ccc(Nc3nccc(-n4cc(C(N)=O)c5ccccc54)n3)cc2)CC1.

What is the InChIKey of 1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide?

The InChIKey is NSVGUDZXFOCQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O2.C27H32N8O.C25H29N7O.C24H26BrN7O.C24H27N7O.C21H20N6O/c1-20(37)35-17-15-34(16-18-35)14-13-33(2)22-9-7-21(8-10-22)31-28-30-12-11-26(32-28)36-19-24(27(29)38)23-5-3-4-6-25(23)36;1-32-13-16-34(17-14-32)18-15-33(2)21-9-7-20(8-10-21)30-27-29-12-11-25(31-27)35-19-23(26(28)36)22-5-3-4-6-24(22)35;1-30(2)15-6-16-31(3)19-11-9-18(10-12-19)28-25-27-14-13-23(29-25)32-17-21(24(26)33)20-7-4-5-8-22(20)32;1-30(2)12-13-31(3)16-8-9-20(19(25)14-16)28-24-27-11-10-22(29-24)32-15-18(23(26)33)17-6-4-5-7-21(17)32;1-29(2)14-15-30(3)18-10-8-17(9-11-18)27-24-26-13-12-22(28-24)31-16-20(23(25)32)19-6-4-5-7-21(19)31;1-26(2)15-9-7-14(8-10-15)24-21-23-12-11-19(25-21)27-13-17(20(22)28)16-5-3-4-6-18(16)27/h3-12,19H,13-18H2,1-2H3,(H2,29,38)(H,30,31,32);3-12,19H,13-18H2,1-2H3,(H2,28,36)(H,29,30,31);4-5,7-14,17H,6,15-16H2,1-3H3,(H2,26,33)(H,27,28,29);4-11,14-15H,12-13H2,1-3H3,(H2,26,33)(H,27,28,29);4-13,16H,14-15H2,1-3H3,(H2,25,32)(H,26,27,28);3-13H,1-2H3,(H2,22,28)(H,23,24,25).

What are the key properties of 1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide?

1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide has a molecular weight of 2751.16 g/mol, XLogP of 20.07, 46 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[2-bromo-4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[3-(dimethylamino)propyl-methylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]pyrimidin-4-yl]indole-3-carboxamide is sourced from PubChem (CID 159875340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).